2-[3-[[(2-amino-3-pyridinyl)amino]methyl]-4-fluorophenyl]-1-(3-methylfuran-2-yl)ethanone

C19H18FN3O2 — CID 58448980

IUPAC2-[3-[[(2-amino-3-pyridinyl)amino]methyl]-4-fluorophenyl]-1-(3-methylfuran-2-yl)ethanone
SMILESCc1ccoc1C(=O)Cc1ccc(F)c(CNc2cccnc2N)c1
InChIInChI=1S/C19H18FN3O2/c1-12-6-8-25-18(12)17(24)10-13-4-5-15(20)14(9-13)11-23-16-3-2-7-22-19(16)21/h2-9,23H,10-11H2,1H3,(H2,21,22)
InChIKeySPQSXKCVQJJKQY-UHFFFAOYSA-N
MW339.37 g/mol
LogP3.74
Rot. Bonds6

About 2-[3-[[(2-amino-3-pyridinyl)amino]methyl]-4-fluorophenyl]-1-(3-methylfuran-2-yl)ethanone

2-[3-[[(2-amino-3-pyridinyl)amino]methyl]-4-fluorophenyl]-1-(3-methylfuran-2-yl)ethanone (PubChem CID 58448980) has the molecular formula C19H18FN3O2 and a molecular weight of 339.37 g/mol. Its IUPAC name is 2-[3-[[(2-amino-3-pyridinyl)amino]methyl]-4-fluorophenyl]-1-(3-methylfuran-2-yl)ethanone.

Molecular Properties

Compound Name2-[3-[[(2-amino-3-pyridinyl)amino]methyl]-4-fluorophenyl]-1-(3-methylfuran-2-yl)ethanone
PubChem CID58448980
Molecular FormulaC19H18FN3O2
Molecular Weight339.37 g/mol
Exact Mass339.14
IUPAC Name2-[3-[[(2-amino-3-pyridinyl)amino]methyl]-4-fluorophenyl]-1-(3-methylfuran-2-yl)ethanone
SMILESCc1ccoc1C(=O)Cc1ccc(F)c(CNc2cccnc2N)c1
InChIInChI=1S/C19H18FN3O2/c1-12-6-8-25-18(12)17(24)10-13-4-5-15(20)14(9-13)11-23-16-3-2-7-22-19(16)21/h2-9,23H,10-11H2,1H3,(H2,21,22)
InChIKeySPQSXKCVQJJKQY-UHFFFAOYSA-N
XLogP3.74
TPSA81.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.37
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[[(2-amino-3-pyridinyl)amino]methyl]-4-fluorophenyl]-1-(3-methylfuran-2-yl)ethanone?
The IUPAC name of 2-[3-[[(2-amino-3-pyridinyl)amino]methyl]-4-fluorophenyl]-1-(3-methylfuran-2-yl)ethanone (CID 58448980) is 2-[3-[[(2-amino-3-pyridinyl)amino]methyl]-4-fluorophenyl]-1-(3-methylfuran-2-yl)ethanone.
What is the SMILES notation for 2-[3-[[(2-amino-3-pyridinyl)amino]methyl]-4-fluorophenyl]-1-(3-methylfuran-2-yl)ethanone?
The canonical SMILES for 2-[3-[[(2-amino-3-pyridinyl)amino]methyl]-4-fluorophenyl]-1-(3-methylfuran-2-yl)ethanone is Cc1ccoc1C(=O)Cc1ccc(F)c(CNc2cccnc2N)c1.
What is the InChIKey of 2-[3-[[(2-amino-3-pyridinyl)amino]methyl]-4-fluorophenyl]-1-(3-methylfuran-2-yl)ethanone?
The InChIKey is SPQSXKCVQJJKQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN3O2/c1-12-6-8-25-18(12)17(24)10-13-4-5-15(20)14(9-13)11-23-16-3-2-7-22-19(16)21/h2-9,23H,10-11H2,1H3,(H2,21,22).
What are the key properties of 2-[3-[[(2-amino-3-pyridinyl)amino]methyl]-4-fluorophenyl]-1-(3-methylfuran-2-yl)ethanone?
2-[3-[[(2-amino-3-pyridinyl)amino]methyl]-4-fluorophenyl]-1-(3-methylfuran-2-yl)ethanone has a molecular weight of 339.37 g/mol, XLogP of 3.74, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[[(2-amino-3-pyridinyl)amino]methyl]-4-fluorophenyl]-1-(3-methylfuran-2-yl)ethanone is sourced from PubChem (CID 58448980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).